核酸碱基的付立叶变换红外拉曼光谱特征

本文给出了核酸碱基付立叶变换红外（ＦＴ—ＩＲ）激光拉曼光谱特征，并与可见光激光拉曼光谱进行了比较。结果表明，付立叶变换红外激光拉曼获得较可见光激光拉曼光谱波数范围更宽（低波数）的谱带范围，所获谱图荧光干扰小，谱图质量明显高于普通激光拉曼光谱谱图。     

基于PowderX软件的拉曼光谱数据处理

将处理 X射线衍射谱的 Powder X软件用于处理拉曼光谱数据 ,可方便地获得谱线中各个拉曼峰的位置、强度和半高宽等信息。经过平滑、去背景后 ,拉曼谱图的变化趋势与原始谱图吻合 ,谱线的信噪比及分辨率也有所提高 ,表明 Powder X软件完全可用于拉曼光谱的数据处理     

基于极值统计的拉曼光谱信噪比评估方法与应用

随着近年来便携式光谱仪技术的迅速发展，CCD光谱仪相对于传统光谱仪在光谱收集方式上发生了很多变化：（1）采集到的光谱对信号进行叠加积分，传统信噪比评估方法无法通过单次检测获得探测器波动；（2）对于谱图噪声（谱线随机波动），由探测器响应随机波动和扫描重复误差转变为CCD探测器像素响应差异、探测器随机噪声和与光学系统分辨力有关的模式噪声。噪声类型发生改变，导致原有的光谱质量评价方法适用性变差，基于实测光谱提出更具适应性的光谱质量评价方法具有很强的现实意义。根据拉曼光谱仪检测器的变化，对采集光谱信号的成分进行分析，在该分析的基础上提出了CCD光谱仪的噪声模型假设，根据该假设使用不同的信号极值点频率对不同的噪声进行像素分离，并对噪声频率模式进行了数值模拟，模拟结果与假设相符；在此基础上提出并实验验证了通过谱线极值间距评估谱线噪声的拉曼光谱信噪比评估方法，该方法包括以下两个步骤：（1）通过采集多次实测光谱进行叠加，叠加过程中对对应不同频次的光谱极值点数量进行统计，得到统计结果后基于文中规律分离光谱仪中的环境噪声和暗噪声；（2）应用上述分离结果，对实测光谱中对应暗噪声的谱线极值点作统计平均，再将该值应用于文中公式，计算得到信噪比。该方法在进行了步骤（1）的前期准备后，可以通过单张谱图评估CCD拉曼光谱仪的随机噪声，并用于评估光谱的信噪比。基于光学构架相同、CCD探测器不同的三个拉曼光谱系统进行实验，采用该方法通过设定信噪比阈值对谱图质量进行控制，获得了一致的光谱曲线；基于该方法对同步叠加平均法进行信噪比拟合，拟合优度达到98%。该方法可用于拉曼光谱仪的性能评估和获取拉曼光谱谱图的质量实时控制。理论和实验表明：对于基于CCD探测器的拉曼光谱仪器，当确定样品和特征峰时，可以基于此方法获得信噪比。该方法还可用于比对不同配置的拉曼光谱设备，以及作为控制谱图质量一致性的标准，并对基于拉曼光谱技术的智能鉴别系统的开发具有指导意义。     

基于一维卷积神经网络的雌激素粉末拉曼光谱定性分类

拉曼光谱物质定性鉴别已被广泛应用于诸多行业和研究领域，但传统拉曼光谱分析过程中的预处理主要依赖人为经验，光谱特征提取虽然能够降低信号维度，同时也会造成部分光谱信息损失。特性相近物质本身光谱相似度较高，受到测量过程中环境干扰和分析过程中多种误差影响，导致最终分类效果并不理想。针对此问题，提出基于一维卷积神经网络（one-dimensional convolution neural network，1D-CNN）的拉曼光谱定性分类方法。实验采集雌酮（Estrone）、雌二醇（Estradiol），雌三醇（Estriol）三种不同雌性激素粉末的拉曼光谱，设计随机平移、添加噪声和随机加权三种光谱数据增强方法，构建数量充足的拉曼光谱数据库用于神经网络模型训练与测试；基于拉曼光谱数据特点提出一维卷积神经网络分类模型，将光谱预处理、特征提取和定性分类的全过程融为一体。通过大量仿真实验，优化所提出的神经网络模型超参数和训练过程并测试分类效果，从预处理对光谱分类结果的影响和模型抗干扰性能两个方面与多种传统拉曼光谱分类算法对比，评价模型性能。实验结果表明，本文提出的一维卷积神经网络模型可实现三类雌性激素粉末拉曼光谱快速准确分类，分类正确率最高可达98.26%，分析过程中无需光谱预处理和特征提取步骤，简化了光谱分析流程，并能保留更多有效信息。同时，当模拟测量噪声强度达到60 dBW时，传统方法分类正确率均明显出现不同程度明显降低，卷积神经网络模型依然能够取得96.81%的分类正确率，说明相比对传统拉曼光谱分类方法，所提出方法受光谱测量噪声影响更小，鲁棒性更强，适用于分析更复杂现场测量的强噪声拉曼光谱信号。该研究结果表明深度学习方法在拉曼光谱的分析与处理领域具有很大的应用潜力和研究价值。     

纤维上染料的FT-Raman光谱法研究

本文采用近红外傅立叶变换拉曼光谱技术（NIR FT－Raman)对27种染色纤维样品进行了检验，同时得到了它们的本底纤维和染料的拉曼谱图，然后利用计算机谱图处理程序进行拉曼差谱处理，获得了染色纤维上染料的拉曼谱图，由此能够实现对纤维上染料的鉴定，根据染料分子的拉曼光谱的特征将24种染色纤维按局部结构特征分为7类，有助于同色纤维上染料的鉴别，该方法快速、简便，灵敏度高，不需从纤维上提取染料。     

人工神经网络在拉曼光谱数据处理中的应用

人工神经网络在拉曼光谱数据处理中的应用刘海林，胡继明，徐知三，盛蓉生，王小华（武汉大学分析测试中心武汉４３００７２）ＡｐｐｌｉｃａｔｉｏｎｏｆＡｒｔｉｆｉｃｉａｌＮｅｕｒａｌＮｅｔｗｏｒｋｓｉｎＲａｍａｎＳｐｅｃｔｒｕｍＤａｔａＰｒｏｃｅｓｓｉｎｇ￥...     

爆炸物、毒品的标准拉曼谱图库的建立及自动检索系统

采集31种爆炸物和73种毒品的标准拉曼谱图,分析其谱图,选出适合作为搜索条件的光谱范围。通过编程,建立标准拉曼谱图库和自动检索系统。在选定光谱范围内,拉曼谱图库选择信号较强的特征峰,进行曲线拟合,将获得的峰位置、相对峰强等数据作为参数写入标准拉曼谱图库。通过自动检索系统将未知拉曼光谱与数据库中的标准谱图进行分析比对,搜索软件自动给出正确结论。数据库具有添加、删除、备份、恢复等辅助功能,并具有自动扣除荧光背底,优化拉曼光谱图等功能。本文进一步分析了可能对分析比对结果造成影响的因素。     

核糖核酸酶溶液的拉曼光谱研究

报道了用硝基苯萃取处理前后的核糖核酸酶溶液的拉曼光谱。对其主链构象和侧链构象进行了分析,指出酰胺Ⅰ和酰胺Ⅱ中β一折迭和无规卷曲的构象较为明显,二硫桥键的构象是扭式—扭式—扭式,酪氨酸残基有部分是“埋藏”的。同时指出用硝基苯萃取处理蛋白质溶液是获得高质量拉曼谱图的一个简明有效的方法。     

拉曼光谱在医学上的应用（Ⅱ）

拉曼光谱在医学上的应用（Ⅱ）余国滔（北京大学生命科学学院北京１００８７１）ＢｉｏｍｅｄｉｃａｌＡｐｐｌｉｃａｔｉｏｎｓｏｆＲａｍａｎＳｐｅｃｔｒｏｓｃｏｐｙ（Ⅱ）ＹｕｅＫｗｏｋｔｏ（ＣｏｌｅｇｅｏｆＬｉｆｅＳｃｉｅｎｃｅｓ，ＰｅｋｉｎｇＵｎｉｖｅｒｓ...     

等高线图分析技术在GC／FTIR联用数据处理中的应用

在三种高聚物的裂解大口径毛细管气相色谱－傅里叶变换红外光谱联用分析（ＰｙＷＢＣＧＣ／ＦＴＩＲ）数据获得的基础上，介绍应用等高线图（ＣＴＤ）分析技术处理色谱重叠峰，并在该分析提供的信息指导下进行红外光谱累加及差减技术，获得了重叠峰中各纯物质较好信噪比的气相红外谱图并予以定性，显著了等高线图分析技术在联用数据中的优点，充分发挥了ＧＣ／ＦＴＩＲ联用特有的光谱分离离度优势。     

Theoretical analysis and simulation of conjugate heights for dual-conjugate AO system in lidar

A multi-conjugate adaptive optics （MCAO） can offer a possibility of widening field of view （FOV） characterized by the isoplanatic angle, and the choose of conjugate height becomes a basic problem for MCAO, which influences the size of iosplanatic angle. Considering the application of lidar, the isoplanatic angle＇s expressions of two deformable mirrors （DMs） MCAO for uplink and downlink are deduced. The effects of conjugate heights for dual-conjugate AO are thoughtfully discussed, and the isoplanatic angles are further analyzed. The results show that the isopanatic angle varies with the conjugate height and reaches the maximum as the conjugate height is at the optimal altitude. Moreover, the optimal conjugate height changes with the propagation distance.     

Quick single-photon detector with many avalanche photo diodes working on the time division

Due to the limit of response speed of the present single-photon detector, the code rate is still too low to come into practical use for the present quantum key distribution (QKD) system.A new idea is put up to design a quick single-photon detector.This quick single-photon detector is composed of a multi-port optic-fiber splitter and many avalanche photo diodes (APDs).Au of the ports with APDs work on the time division and cooperate with a logic discriminating and deciding unit driven by the clock signal.The operation frequency lies on the number N of ports, and can reach N times of the conventional single-photon detector.The single-photon prompt detection can come true for high repetition-rate pulses.The applying of this detector will largely raise the code rate of the QKD, and boost the commercial use.     

Characterization of PolyA and PolyC mismatches by Raman spectroscopy

A.C mismatches are studied by Raman spectral characterization of PolyA, PolyC, and their equimolar complex in solution of 0.14 mol/L Na ,pH7.0.Experimental results show that A·C mismatches occur to be A/B (mainly A) conformers, and unlike Watson-Crick base pairing, this kind of mismatches is stabilized by only one hydrogen bond involving cytosine N4H2 and adenine N7.The formation of A·C complex makes the base stacking interactions much stronger, and conformation of the backbone more ordered, which leads to obvious Raman hypochromic effect with some shifts in corresponding bands.     

Improvement of four-wave mixing-based wavelength conversion efficiency in dispersion shifted fiber by 40-GHz clock pumping

40-GHz clock modulated signal as a pump to improve the efficiency of four-wave mixing (FWM)-based wavelength conversion in a 26.5-km dispersion shifted fiber (DSF) is investigated. The experimental results demonstrate that the conjugated FWM component has higher intensity with the clock pumping than that with the continuous-wave (CW) light pumping. The improvement of FWM-based wavelength conversion efficiency is negligible when the pump power is less than Brillouin threshold. But when the pump power is greater than Brillouin threshold, the improvement becomes significant and increases with the increment of pump power. The improvement can increase up to 9 dB if pump power reaches 17 dBm.     

Speech enhancement by array crosstalk resistant ANC and spectrum subtraction

Microphone array-based speech enhancement has great importance for speech communications and speech recognition. To reduce the aperture of the microphone array and to increase the effect of the speech enhancement will greatly broaden the application areas of the microphone array. An array crosstalk resistant adaptive noise cancellation method is therefore presented. And then an improved spectral subtraction algorithm is further cascaded to obtain better enhancement results. Theoretic analysis and experiments indicate that the proposed scheme needs only a very small microphone array while it simultaneously achieves a higher SNR improvement. Besides, the proposed scheme can be used in many noisy environments and is easy for real-time implementation.     

Multi-pulse operation of a Kerr-lens mode-locked femtosecond laser

Our experimental results show that the presence of a proper amount of negative group velocity dispersion is essential to multi-pulse operation of a Kerr-lens mode-locked femtosecond laser. We demonstrate that the pulse separations and the number of pulses contained within a cavity round trip are strongly dependent on the initial perturbations. The results allow us to get a better understanding on the influences of the convoluted self-phase modulation and intra-cavity dispersions on the stable multi-pulse oscillation in a Kerr-lens mode-locked femtosecond laser.     

Propagation of Helmholtz-Gauss beams in weak turbulent atmosphere

Based on the Rytov approximation of light propagation in weak turbulent atmosphere,the closed-form expressions of field and average irradiance of each one of the four fundamental families of Helmholtz-Gauss (HzG)beams:cosine-Gauss beams,stationary Mathieu-Gauss beams,stationary parabolic-Gauss beams,and Bessel-Gauss beams,which are propagating in weak turbulent atmosphere,are obtained.The results show that the field and average irradiance can be written as the product of four factors:complex amplitude depending on the z-coordinate only,a Ganssian beam.a factor of complex phase perturbation induced by atmospheric turbulence,and a complex scaled version of the transverse shape of the non-diffracting beam.The effect of weak atmospheric turbulence on irradiance distribution of the HzG beam can be ignored.     

An effective method for reducing speckle noise in digital holography

An effective method for reducing the speckle noise in digital holography is proposed in this paper.Different from the methods based on classical filtering technique,it utilizes the multiple holograms which are generated by rotating the illuminating light continuously.The intensity images reconstructed by a series of holograms generated by rotating the illuminating light possess different speckle patterns.Hence by properly averaging the reconstructed intensity fields,the speckle noises can be reduced greatly.Experimental results show that the proposed method is simple and effective to reduce speckle noise in digital holography.     

Influence of purity of HfO2 on reflectance of ultraviolet multilayer

The impurities in two kinds of HfO2 materials and in their corresponding single layer thin films were determined through glow discharge mass spectrum technology and secondary ion mass spectrometry(SIMS) equipment respectively.It was found that ZrO2 was the main impurity in the two kinds of HfO2 either in the original HfO2 materials or in the electron beam deposited films.In addition,the difference of Zr content in the two kinds of HfO2 single laver films was much laxger than that of the other impurities such as Ti and Fe.which showed that it was just ZrO2 that made the difference between the optical performance of the film products including the two kinds of HfO2.With these two kinds of HfO2 and the same kind of SiO2.we deposited HfO2/SiO2 multilayer reflective coatings at the wavelength of 266 nm.Experimental results showed that the reflectances of these two mirrors were about 99.85% and 99.15% respectively,which agreed well with the designed results what were based on the optical constants obtained from the corresponding single layer thin films.